Geometry & MOs

Info

ID:	418211
PubChem CID:	135103877
Reduced:	ClNO3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-124.79
Dipole, Da:	4.5
IP(EA), eV:	-9.24(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxy-2-methylphenyl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)CN2CC[C@@H]([C@@](C2)(CC3CC3)C(=O)O)O

DOS

IR

Vibrations